| Description |
1 online resource (xv, 461 pages) |
| Contents |
Cover -- Half-title -- Title page -- Copyright information -- Contents -- Preface to the Second Edition -- Preface to the First Edition -- 1 Introduction to Carbon-Based Nanostructures -- 1.1 Carbon Structures and Hybridizations -- 1.2 Carbon Nanostructures -- 1.3 Guide to the Book -- 1.4 Further Reading -- 2 Electronic Properties of Carbon-Based Nanostructures -- 2.1 Introduction -- 2.2 Electronic Properties of Graphene -- 2.2.1 Tight-Binding Description of Graphene -- 2.2.2 Effective Description Close to the Dirac Point and Massless Dirac Fermions -- 2.2.3 Electronic Properties of Graphene beyond the Linear Approximation -- 2.3 Electronic Properties of Few-Layer Graphene -- 2.4 Electronic Properties of Graphene Nanoribbons -- 2.4.1 Electronic Properties of Armchair Nanoribbons (aGNRs) -- 2.4.2 Electronic Properties of Zigzag Nanoribbons (zGNRs) -- 2.5 Electronic Properties of Carbon Nanotubes -- 2.5.1 Structural Parameters of CNTs -- 2.5.2 Electronic Structure of CNTs within the Zone-Folding Approximation -- 2.5.3 Curvature Effects: Beyond the Zone-Folding Model -- 2.5.4 Small-Diameter Nanotubes: Beyond the Tight-Binding Approach -- 2.5.5 Nanotubes in Bundles -- 2.5.6 Multiwall Nanotubes -- 2.6 Defects and Disorder in Graphene-Based Nanostructures -- 2.6.1 Structural Point Defects in Graphene -- 2.6.2 Grain Boundaries and Extended Defects in Graphene -- 2.6.3 Structural Defects at Graphene Edges -- 2.6.4 Defects in Carbon Nanotubes -- 2.7 Further Reading and Problems -- 3 The New Family of Two-Dimensional Materials and van der Waals Heterostructures -- 3.1 Introduction -- 3.2 Hexagonal Boron Nitride Monolayer -- 3.3 Two-Dimensional Transition Metal Dichalcogenides -- 3.4 Other Two-Dimensional Materials -- 3.4.1 Phosphorene -- 3.4.2 Borophene -- 3.4.3 Silicene, Germanene, and Stanene -- 3.4.4 MXenes -- 3.5 van der Waals Heterostructures |
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3.6 Conclusion -- 3.7 Further Reading -- 4 Quantum Transport: General Concepts -- 4.1 Introduction -- 4.1.1 Relevant Time and Length Scales -- 4.1.2 Coherent versus Sequential Transport -- 4.2 Landauer-Büttiker Theory -- 4.2.1 Heuristic Derivation of Landauer's Formula -- 4.3 Boltzmann Semiclassical Transport -- 4.3.1 The Relaxation Time Approximation and the Boltzmann Conductivity -- 4.4 Kubo Formula for the Electronic Conductivity -- 4.4.1 Illustrations for Ballistic and Diffusive Regimes -- 4.4.2 Kubo versus Landauer -- 4.4.3 Validity Limit of Ohm's Law in the Quantum Regime -- 4.4.4 The Kubo Formalism in Real Space -- 4.4.5 Scaling Theory of Localization -- 4.5 Quantum Transport beyond the Fully Coherent or Decoherent Limits -- 4.6 Further Reading and Problems -- 5 Klein Tunneling and Ballistic Transport in Graphene and Related Materials -- 5.1 The Klein Tunneling Mechanism -- 5.1.1 Klein Tunneling through Monolayer Graphene with a Single (Impurity) Potential Barrier -- 5.1.2 Klein Tunneling through Bilayer Graphene with a Single (Impurity) Potential Barrier -- 5.2 Ballistic Transport in Carbon Nanotubes and Graphene -- 5.2.1 Ballistic Motion and Conductance Quantization -- 5.2.2 Mode Decomposition in Real Space -- 5.2.3 Fabry-Pérot Conductance Oscillations -- 5.2.4 Contact Effects: SWNT-Based Heterojunctions and the Role of Contacts between Metals and Carbon-Based Devices -- 5.3 Ballistic Motion through a Graphene Constriction: The 2D Limit and the Minimum Conductivity -- 5.4 Further Reading and Problems -- 6 Quantum Transport in Disordered Graphene-Based Materials -- 6.1 Elastic Mean Free Path -- 6.1.1 Temperature Dependence of the Mean Free Path -- 6.1.2 Inelastic Mean Free Path in the High-Bias Regime -- 6.1.3 Quantum Interference Effects and Localization Phenomena in Disordered Graphene-Based Materials |
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6.1.4 Edge Disorder and Transport Gaps in Graphene Nanoribbons -- 6.2 Transport Properties in Disordered Two-Dimensional Graphene -- 6.2.1 Two-Dimensional Disordered Graphene: Experimental and Theoretical Overview -- 6.2.2 Metallic versus Insulating State and Minimum Conductivity -- 6.2.3 Boltzmann Transport in Two-Dimensional Graphene -- 6.2.4 Kubo Transport: Graphene with Anderson Disorder -- 6.2.5 Kubo Transport: Graphene with Gaussian Impurities -- 6.2.6 Weak Localization Phenonema in Disordered Graphene -- 6.2.7 Strong Localization in Disordered Graphene -- 6.3 Graphene with Monovacancies -- 6.3.1 Electronic Structure of Graphene with Monovacancies -- 6.3.2 Transport Features of Graphene with Monovacancies -- 6.4 Polycrystalline Graphene -- 6.4.1 Motivation and Structural Models -- 6.4.2 Electronic Properties of Polycrystalline Graphene -- 6.4.3 Mean Free Path, Conductivity and Charge Mobility -- 6.5 Graphene Quantum Dots -- 6.5.1 Generalities on Coulomb Blockade -- 6.5.2 Confining Charges in Graphene Devices -- 6.6 Further Reading and Problems -- 7 Quantum Hall Effects in Graphene -- 7.1 Berry Phase -- 7.2 Graphene's Berry Phase and Its Observation in ARPES Experiments -- 7.3 Anomalous Velocity and Valley Hall Effect -- 7.4 The Peierls Substitution -- 7.5 Aharonov-Bohm Gap Opening and Orbital Degeneracy Splitting in Carbon Nanotubes -- 7.6 Landau Levels in Graphene -- 7.7 Quantum Hall Effect in Graphene -- 7.7.1 Experimental Observation of Hall Quantization in Graphene -- 7.7.2 Remarks for the Numerical Investigation of the Hall Response -- 7.7.3 The Mystery of the Zero-Energy Landau Level Splitting -- 7.7.4 Universal Longitudinal Conductivity at the Dirac Point -- 7.8 The Haldane Model -- 7.9 Further Reading and Problems -- 8 Spin-Related Phenomena -- 8.1 Introduction -- 8.2 Spin-Orbit Coupling in Graphene |
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8.2.1 Derivation from the Dirac Equation -- 8.2.2 Theoretical Estimation of the SOC Terms Magnitude -- 8.3 Spin Transport Measurements and Spin Lifetime -- 8.4 Spin Dynamics and Relaxation Mechanisms -- 8.4.1 Dyakonov-Perel Mechanism -- 8.4.2 Elliot-Yafet Mechanism for Graphene -- 8.4.3 Spin-Pseudopsin Entanglement and Spin Relaxation -- 8.5 Manipulating Spin by Proximity Effects -- 8.5.1 Manipulating Spin Using 2D Magnetic Substrates -- 8.5.2 Magnetic Proximity Effects in Vertical Spin Devices -- 8.5.3 Weak Antilocalization in Graphene/TMD Heterostructures -- 8.5.4 Spin Transport Anisotropy -- 8.6 Spin Hall Effect -- 8.6.1 Introductory Picture and Basics -- 8.6.2 Enhanced SHE in Graphene? -- 8.7 Spin Transport Formalism and Computational Methodologies -- 8.8 Further Reading -- 9 Quantum Transport beyond DC -- 9.1 Introduction: Why AC Fields? -- 9.2 Adiabatic Approximation -- 9.3 Floquet Theory -- 9.3.1 Average Current and Density of States -- 9.3.2 Homogeneous Driving and the Tien-Gordon Model -- 9.3.3 Time-Evolution Operator -- 9.4 Overview of AC Transport in Carbon-Based Devices -- 9.5 AC Transport and Laser-Induced Effects on the Electronic Properties of Graphene -- 9.6 Further Reading and Problems -- 10 Ab Initio and Multiscale Quantum Transport in Graphene-Based Materials -- 10.1 Introduction -- 10.2 Chemically Doped Nanotubes -- 10.2.1 Tight-Binding Hamiltonian of the Pristine Carbon Nanotube -- 10.2.2 Boron-Doped Metallic Carbon Nanotubes -- 10.2.3 Nitrogen-Doped Metallic Carbon Nanotubes -- 10.3 Two-Dimensional Disordered Graphene with Adatoms Defects -- 10.3.1 Monatomic Oxygen Defects -- 10.3.2 Atomic Hydrogen Defects -- 10.3.3 Scattering Times -- 10.4 Structural Point Defects Embedded in Graphene -- 10.5 Ab Initio Quantum Transport in 1D Carbon Nanostructures -- 10.5.1 Introduction -- 10.5.2 Carbon Nanotubes |
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10.5.3 Defective Carbon Nanotubes -- 10.5.4 Doped Carbon Nanotubes -- 10.5.5 Functionalized Carbon Nanotubes -- 10.5.6 Carbon Nanotubes Decorated with Metal Clusters -- 10.5.7 Graphene Nanoribbons -- 10.5.8 Graphene Nanoribbons with Point Defects -- 10.5.9 Graphene Nanoribbons with Edge Reconstruction -- 10.5.10 Graphene Nanoribbons with Edge Disorder -- 10.5.11 Doped Graphene Nanoribbons -- 10.5.12 GNR-Based Networks -- 10.6 Conclusion -- 10.7 Further Reading -- Appendix A Electronic Structure Calculations: The Density Functional Theory (DFT) -- A.1 Introduction -- A.2 Overview of the Approximations -- A.2.1 The Schrödinger Equation -- A.2.2 The Born-Oppenheimer Approximation -- A.2.3 The Hartree Approximation -- A.2.4 The Hartree-Fock Approximation -- A.3 Density Functional Theory -- A.3.1 The Thomas-Fermi Model -- A.3.2 The Hohenberg-Kohn Theorem -- A.3.3 The Kohn-Sham Equations -- A.3.4 The Exchange-Correlation Functionals -- A.4 Practical Calculations -- A.4.1 Crystal Lattice and Reciprocal Space -- A.4.2 The Plane Wave Representation -- A.4.3 k-Point Grids and Band Structures -- A.4.4 The Pseudopotential Approximation -- A.4.5 Available DFT Codes -- Appendix B Electronic Structure Calculations: The Many-Body Perturbation Theory (MBPT) -- B.1 Introduction -- B.2 Many-Body Perturbation Theory (MBPT) -- B.2.1 Hedin's Equations -- B.2.2 GW Approximation -- B.3 Practical Implementation of G[sub(0)] W[sub(0)] -- B.3.1 Perturbative Approach -- B.3.2 Plasmon Pole -- Appendix C Green's Functions and Ab Initio Quantum Transport in the Landauer-Büttiker Formalism -- C.1 Phase-Coherent Quantum Transport and the Green's Function Formalism -- C.2 Self-Energy Corrections and Recursive Green's Functions Techniques -- C.3 Dyson's Equation and an Application to Treatment of Disordered Systems -- C.4 Computing Transport Properties within Ab Initio Simulations |
| Summary |
"Graphene is one of the most intensively studied materials, and has unusual electrical, mechanical and thermal properties, which provide almost unlimited potential applications. This book provides an introduction to the electrical and transport properties of graphene and other two dimensional nanomaterials, covering ab-initio to multiscale methods. Updated from the first edition, the authors have added chapters on other two dimensional materials, spin related phenomena, and an improved overview of Berry phase effects. Other topics include powerful order N electronic structure, transport calculations, ac transport and multiscale transport methodologies. Chapters are complemented with concrete examples and case studies, questions and exercises, detailed appendices and computational codes. It is a valuable resource for graduate students and researchers working in physics, materials science of engineering who are interested in the field of graphene-based nanomaterials"-- Provided by publisher |
| Bibliography |
Includes bibliographical references and index |
| Notes |
Description based on online resource; title from digital title page (viewed on March 16, 2020) |
| Subject |
Nanostructured materials.
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Graphene.
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Quantum theory.
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Graphene
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Nanostructured materials
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Quantum theory
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| Form |
Electronic book
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| Author |
Roche, Stephan, author.
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Charlier, Jean-Christophe, author.
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| LC no. |
2019038193 |
| ISBN |
9781108664462 |
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1108664466 |
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